N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride

C13H20BrClN2O — CID 119753158

IUPACN-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)c1ccc(Br)cc1.Cl
InChIInChI=1S/C13H19BrN2O.ClH/c1-10(11-5-7-12(14)8-6-11)16-13(17)4-3-9-15-2;/h5-8,10,15H,3-4,9H2,1-2H3,(H,16,17);1H
InChIKeyLUZMPELKAGTQGM-UHFFFAOYSA-N
MW335.67 g/mol
LogP3.05
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride

N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119753158) has the molecular formula C13H20BrClN2O and a molecular weight of 335.67 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119753158
Molecular FormulaC13H20BrClN2O
Molecular Weight335.67 g/mol
Exact Mass334.04
IUPAC NameN-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)c1ccc(Br)cc1.Cl
InChIInChI=1S/C13H19BrN2O.ClH/c1-10(11-5-7-12(14)8-6-11)16-13(17)4-3-9-15-2;/h5-8,10,15H,3-4,9H2,1-2H3,(H,16,17);1H
InChIKeyLUZMPELKAGTQGM-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.67
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119685501
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119815204
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
CID 81359144
N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide
CID 81359603
4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide
CID 119721996
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119682959
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide
CID 119812957
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
4-(methylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360998
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 81372625

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride (CID 119753158) is N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NC(C)c1ccc(Br)cc1.Cl.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is LUZMPELKAGTQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O.ClH/c1-10(11-5-7-12(14)8-6-11)16-13(17)4-3-9-15-2;/h5-8,10,15H,3-4,9H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 335.67 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119753158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).